1-[1-[2-(1-adamantyl)ethyl]triazol-4-yl]-N-methylmethanamine

C16H26N4 — CID 66216658

IUPAC1-[1-[2-(1-adamantyl)ethyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCC23CC4CC(CC(C4)C2)C3)nn1
InChIInChI=1S/C16H26N4/c1-17-10-15-11-20(19-18-15)3-2-16-7-12-4-13(8-16)6-14(5-12)9-16/h11-14,17H,2-10H2,1H3
InChIKeyRMDRCVMFOIQWRE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.60
Rot. Bonds5

About 1-[1-[2-(1-adamantyl)ethyl]triazol-4-yl]-N-methylmethanamine

1-[1-[2-(1-adamantyl)ethyl]triazol-4-yl]-N-methylmethanamine (PubChem CID 66216658) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[1-[2-(1-adamantyl)ethyl]triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(1-adamantyl)ethyl]triazol-4-yl]-N-methylmethanamine
PubChem CID66216658
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-[1-[2-(1-adamantyl)ethyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCC23CC4CC(CC(C4)C2)C3)nn1
InChIInChI=1S/C16H26N4/c1-17-10-15-11-20(19-18-15)3-2-16-7-12-4-13(8-16)6-14(5-12)9-16/h11-14,17H,2-10H2,1H3
InChIKeyRMDRCVMFOIQWRE-UHFFFAOYSA-N
XLogP2.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[2-(1-adamantyl)ethyl]triazol-4-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1-adamantyl)ethyl]triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(1-adamantyl)ethyl]triazol-4-yl]-N-methylmethanamine (CID 66216658) is 1-[1-[2-(1-adamantyl)ethyl]triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(1-adamantyl)ethyl]triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(1-adamantyl)ethyl]triazol-4-yl]-N-methylmethanamine is CNCc1cn(CCC23CC4CC(CC(C4)C2)C3)nn1.
What is the InChIKey of 1-[1-[2-(1-adamantyl)ethyl]triazol-4-yl]-N-methylmethanamine?
The InChIKey is RMDRCVMFOIQWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-17-10-15-11-20(19-18-15)3-2-16-7-12-4-13(8-16)6-14(5-12)9-16/h11-14,17H,2-10H2,1H3.
What are the key properties of 1-[1-[2-(1-adamantyl)ethyl]triazol-4-yl]-N-methylmethanamine?
1-[1-[2-(1-adamantyl)ethyl]triazol-4-yl]-N-methylmethanamine has a molecular weight of 274.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1-adamantyl)ethyl]triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66216658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).